N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine

C20H25ClN2O2 — CID 119040270

IUPACN-[4-chloro-3-[(dimethylamino)methyl]phenyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1OC)CCC2Nc1ccc(Cl)c(CN(C)C)c1
InChIInChI=1S/C20H25ClN2O2/c1-23(2)12-13-11-14(5-8-17(13)21)22-18-9-6-16-15(18)7-10-19(24-3)20(16)25-4/h5,7-8,10-11,18,22H,6,9,12H2,1-4H3
InChIKeyJWYJXSIKQGYAOW-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.52
Rot. Bonds6

About N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine

N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 119040270) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[4-chloro-3-[(dimethylamino)methyl]phenyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID119040270
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-[4-chloro-3-[(dimethylamino)methyl]phenyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1OC)CCC2Nc1ccc(Cl)c(CN(C)C)c1
InChIInChI=1S/C20H25ClN2O2/c1-23(2)12-13-11-14(5-8-17(13)21)22-18-9-6-16-15(18)7-10-19(24-3)20(16)25-4/h5,7-8,10-11,18,22H,6,9,12H2,1-4H3
InChIKeyJWYJXSIKQGYAOW-UHFFFAOYSA-N
XLogP4.52
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine (CID 119040270) is N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1OC)CCC2Nc1ccc(Cl)c(CN(C)C)c1.
What is the InChIKey of N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JWYJXSIKQGYAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-23(2)12-13-11-14(5-8-17(13)21)22-18-9-6-16-15(18)7-10-19(24-3)20(16)25-4/h5,7-8,10-11,18,22H,6,9,12H2,1-4H3.
What are the key properties of N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine?
N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 360.89 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 119040270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).